SCHEMBL9821031

SCHEMBL9821031

CC(=O)Nc1ccc(C=O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23771120 0.79 SMN1; SMN2 (0.47) HDAC1HDAC6POLBMAPTCA1
SCHEMBL4088610 0.78 POLB (0.43) HDAC1HDAC6POLBMAPTCA1
SCHEMBL20766369 0.77 DYRK1A (0.48) HDAC1HDAC6POLBMAPTCA1
SCHEMBL2564600 0.77 ALDH1A1 (0.56) HDAC1HDAC6POLBCA1CA2
SCHEMBL14999872 0.75 MEN1 (0.44) HDAC1HDAC6POLBMAPTCA1
SCHEMBL12525343 0.75 RXFP1 (0.49) HDAC1HDAC6POLBMAPTCA1
SCHEMBL9821004 0.74 HDAC1 (0.44) HDAC1HDAC6POLBMAPTCA1
SCHEMBL30521190 0.74 RXFP1 (0.56) HDAC1HDAC6POLBMAPTCA1
SCHEMBL12596677 0.74 RXFP1 (0.56) HDAC1HDAC6POLBMAPTCA1
SCHEMBL2114658 0.74 HDAC1 (0.44) HDAC1HDAC6POLBMAPTCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed